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Title: Materials Data on Li2S by Materials Project

Abstract

Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.45 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.49–2.87 Å. S2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.

Publication Date:
Other Number(s):
mp-1125
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2S; Li-S
OSTI Identifier:
1187672
DOI:
https://doi.org/10.17188/1187672

Citation Formats

The Materials Project. Materials Data on Li2S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187672.
The Materials Project. Materials Data on Li2S by Materials Project. United States. doi:https://doi.org/10.17188/1187672
The Materials Project. 2020. "Materials Data on Li2S by Materials Project". United States. doi:https://doi.org/10.17188/1187672. https://www.osti.gov/servlets/purl/1187672. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187672,
title = {Materials Data on Li2S by Materials Project},
author = {The Materials Project},
abstractNote = {Li2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.45 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.49–2.87 Å. S2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.},
doi = {10.17188/1187672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}